(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide

C19H29N5O3 — CID 72881056

IUPAC(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCC(=O)c1c(C)nn(CC(=O)N[C@H]2CN(C(=O)N(C)C)C[C@@H]2C2CC2)c1C
InChIInChI=1S/C19H29N5O3/c1-11-18(13(3)25)12(2)24(21-11)10-17(26)20-16-9-23(19(27)22(4)5)8-15(16)14-6-7-14/h14-16H,6-10H2,1-5H3,(H,20,26)/t15-,16+/m1/s1
InChIKeyADKWKXDONGBMEC-CVEARBPZSA-N
MW375.47 g/mol
LogP1.21
Rot. Bonds5

About (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide

(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 72881056) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID72881056
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCC(=O)c1c(C)nn(CC(=O)N[C@H]2CN(C(=O)N(C)C)C[C@@H]2C2CC2)c1C
InChIInChI=1S/C19H29N5O3/c1-11-18(13(3)25)12(2)24(21-11)10-17(26)20-16-9-23(19(27)22(4)5)8-15(16)14-6-7-14/h14-16H,6-10H2,1-5H3,(H,20,26)/t15-,16+/m1/s1
InChIKeyADKWKXDONGBMEC-CVEARBPZSA-N
XLogP1.21
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]ethanone
CID 56878495
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91790453
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
CID 91778612
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45252270
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 90649664
N-[(3R,4S)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 72916818
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 91779408
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91796824
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
1-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 133118417
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 72901712
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
CID 118794401

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide (CID 72881056) is (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide is CC(=O)c1c(C)nn(CC(=O)N[C@H]2CN(C(=O)N(C)C)C[C@@H]2C2CC2)c1C.
What is the InChIKey of (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is ADKWKXDONGBMEC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-11-18(13(3)25)12(2)24(21-11)10-17(26)20-16-9-23(19(27)22(4)5)8-15(16)14-6-7-14/h14-16H,6-10H2,1-5H3,(H,20,26)/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide?
(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72881056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).