N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide

C13H18N4O2 — CID 164631879

IUPACN-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)15-11-4-5-16(8-11)13(19)10-6-14-17(7-10)12-2-3-12/h6-7,11-12H,2-5,8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyAWPBKCDJWGDGGY-NSHDSACASA-N
MW262.31 g/mol
LogP0.57
Rot. Bonds3

About N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 164631879) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID164631879
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)15-11-4-5-16(8-11)13(19)10-6-14-17(7-10)12-2-3-12/h6-7,11-12H,2-5,8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyAWPBKCDJWGDGGY-NSHDSACASA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-1-(pyrazolylmethyl)propyl](1-methylpyrazol-4-yl)carboxamide
CID 19575931
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-{rel-(3R,4S)-4-cyclopropyl-1-[3-(methylthio)propyl]-3-pyrrolidinyl}-1-methyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72907256
1-cyclopropyl-N-(1-((1-ethyl-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132220113
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-methyl-1H-pyrazole-4-carboxamide
CID 91911022
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-ethyl-1H-pyrazole-4-carboxamide
CID 91923218

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 164631879) is N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cnn(C3CC3)c2)C1.
What is the InChIKey of N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is AWPBKCDJWGDGGY-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)15-11-4-5-16(8-11)13(19)10-6-14-17(7-10)12-2-3-12/h6-7,11-12H,2-5,8H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164631879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).