(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide

C13H21N3O — CID 164639973

IUPAC(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)n1ccc(CNC(=O)[C@H]2CC2(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-6-5-10(15-16)8-14-12(17)11-7-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,14,17)/t11-/m1/s1
InChIKeyFHQJFWUKFVLGJP-LLVKDONJSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds4

About (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 164639973) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID164639973
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)n1ccc(CNC(=O)[C@H]2CC2(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-6-5-10(15-16)8-14-12(17)11-7-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,14,17)/t11-/m1/s1
InChIKeyFHQJFWUKFVLGJP-LLVKDONJSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-Trimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]butanamide
CID 121446735
N-[(2-ethylpyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 19294477
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclohex-3-enecarboxamide
CID 71808053
2,2-dibromo-1-methyl-N-[4-(5-methylpyrazol-1-yl)butyl]cyclopropane-1-carboxamide
CID 145967930
3-(2,2-dichlorovinyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopropanecarboxamide
CID 2900232
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 164639973) is (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is CC(C)n1ccc(CNC(=O)[C@H]2CC2(C)C)n1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is FHQJFWUKFVLGJP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)16-6-5-10(15-16)8-14-12(17)11-7-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164639973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).