N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide

C15H17N3O2 — CID 71875848

IUPACN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C15H17N3O2/c19-13-3-1-2-12(8-13)10-18(9-11-4-5-11)15(20)14-6-7-16-17-14/h1-3,6-8,11,19H,4-5,9-10H2,(H,16,17)
InChIKeyICWABTQEKMSTGD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.17
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide

N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 71875848) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID71875848
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C15H17N3O2/c19-13-3-1-2-12(8-13)10-18(9-11-4-5-11)15(20)14-6-7-16-17-14/h1-3,6-8,11,19H,4-5,9-10H2,(H,16,17)
InChIKeyICWABTQEKMSTGD-UHFFFAOYSA-N
XLogP2.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570
N-(cyclopropylmethyl)-1-[(1R,2R)-2-hydroxycyclobutyl]-N-[(3-hydroxyphenyl)methyl]triazole-4-carboxamide
CID 166253189
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759574
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
CID 119950843
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95772645
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
4-bromo-N-(cyclobutylmethyl)-N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212848
N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 67107127

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 71875848) is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(Cc1cccc(O)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ICWABTQEKMSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-3-1-2-12(8-13)10-18(9-11-4-5-11)15(20)14-6-7-16-17-14/h1-3,6-8,11,19H,4-5,9-10H2,(H,16,17).
What are the key properties of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71875848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).