3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide

C16H25N5O2 — CID 136513024

IUPAC3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCC(c3cnn(C)c3)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-11(2)21-10-14(6-15(21)22)18-16(23)20-5-4-12(9-20)13-7-17-19(3)8-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,23)
InChIKeyBEOOGHMNFLGSTR-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.93
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide

3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 136513024) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID136513024
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCC(c3cnn(C)c3)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-11(2)21-10-14(6-15(21)22)18-16(23)20-5-4-12(9-20)13-7-17-19(3)8-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,23)
InChIKeyBEOOGHMNFLGSTR-UHFFFAOYSA-N
XLogP0.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10343992, Example 226
CID 122590814
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
4-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 66107601
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018138
(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97471000
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
N,N,1-trimethyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118741028
5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71757084
rac-(3R,4S)-N-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 119031227
1-cyclopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70722925

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide (CID 136513024) is 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide is CC(C)N1CC(NC(=O)N2CCC(c3cnn(C)c3)C2)CC1=O.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is BEOOGHMNFLGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)21-10-14(6-15(21)22)18-16(23)20-5-4-12(9-20)13-7-17-19(3)8-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,23).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136513024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).