N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide

C16H19N3O2 — CID 138020960

IUPACN-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(O)c2ccccc2)cn1)NCC1CC1
InChIInChI=1S/C16H19N3O2/c20-15(17-8-12-6-7-12)11-19-10-14(9-18-19)16(21)13-4-2-1-3-5-13/h1-5,9-10,12,16,21H,6-8,11H2,(H,17,20)
InChIKeyDOOFLWCOEOWJFV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.49
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide (PubChem CID 138020960) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide
PubChem CID138020960
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(O)c2ccccc2)cn1)NCC1CC1
InChIInChI=1S/C16H19N3O2/c20-15(17-8-12-6-7-12)11-19-10-14(9-18-19)16(21)13-4-2-1-3-5-13/h1-5,9-10,12,16,21H,6-8,11H2,(H,17,20)
InChIKeyDOOFLWCOEOWJFV-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopropylmethylamino)-2-oxoethyl]pyrazole-4-sulfonyl chloride
CID 82911791
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
2-(3-nitro-1,2,4-triazol-1-yl)-N-[(4-phenylcyclohexyl)methyl]acetamide
CID 56783745
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122141416
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-[4-(1-amino-2-methylpropyl)triazol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 114202379

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide (CID 138020960) is N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide is O=C(Cn1cc(C(O)c2ccccc2)cn1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide?
The InChIKey is DOOFLWCOEOWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(17-8-12-6-7-12)11-19-10-14(9-18-19)16(21)13-4-2-1-3-5-13/h1-5,9-10,12,16,21H,6-8,11H2,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 138020960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).