N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide

C17H21ClN4O — CID 94812810

IUPACN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H21ClN4O/c1-13-8-20-22(10-13)12-17(23)19-9-14-6-7-21(11-14)16-4-2-15(18)3-5-16/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyIXTLVHMPZNYFIL-CQSZACIVSA-N
MW332.84 g/mol
LogP2.49
Rot. Bonds5

About N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 94812810) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID94812810
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H21ClN4O/c1-13-8-20-22(10-13)12-17(23)19-9-14-6-7-21(11-14)16-4-2-15(18)3-5-16/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyIXTLVHMPZNYFIL-CQSZACIVSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51094994
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403299
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
(E)-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 51094732

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 94812810) is N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is IXTLVHMPZNYFIL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-13-8-20-22(10-13)12-17(23)19-9-14-6-7-21(11-14)16-4-2-15(18)3-5-16/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 332.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 94812810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).