N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide

C13H22N4O — CID 114263080

IUPACN-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1nn(C)cc1NC(=O)CC1CCNC1
InChIInChI=1S/C13H22N4O/c1-9(2)13-11(8-17(3)16-13)15-12(18)6-10-4-5-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,15,18)
InChIKeyKIZDXWSEBRDBNR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds4

About N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide

N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide (PubChem CID 114263080) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide
PubChem CID114263080
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1nn(C)cc1NC(=O)CC1CCNC1
InChIInChI=1S/C13H22N4O/c1-9(2)13-11(8-17(3)16-13)15-12(18)6-10-4-5-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,15,18)
InChIKeyKIZDXWSEBRDBNR-UHFFFAOYSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide
CID 114263072
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
CID 114263071
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119693548
N-(3-ethyl-1-methylpyrazol-4-yl)-3-piperidin-3-ylpropanamide
CID 107463133
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 64618955
(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 114262609

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide (CID 114263080) is N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide is CC(C)c1nn(C)cc1NC(=O)CC1CCNC1.
What is the InChIKey of N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is KIZDXWSEBRDBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)13-11(8-17(3)16-13)15-12(18)6-10-4-5-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide?
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 114263080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).