N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C17H21N5O2 — CID 131939383

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-9(2)6-12-8-15(22-21-12)17(24)18-11-4-5-13-14(7-11)20-16(19-13)10(3)23/h4-5,7-10,23H,6H2,1-3H3,(H,18,24)(H,19,20)(H,21,22)
InChIKeyOMNWXBPNVCCTPO-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 131939383) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID131939383
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-9(2)6-12-8-15(22-21-12)17(24)18-11-4-5-13-14(7-11)20-16(19-13)10(3)23/h4-5,7-10,23H,6H2,1-3H3,(H,18,24)(H,19,20)(H,21,22)
InChIKeyOMNWXBPNVCCTPO-UHFFFAOYSA-N
XLogP2.79
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 60540872
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131925459
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 131939383) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)n[nH]1.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OMNWXBPNVCCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-9(2)6-12-8-15(22-21-12)17(24)18-11-4-5-13-14(7-11)20-16(19-13)10(3)23/h4-5,7-10,23H,6H2,1-3H3,(H,18,24)(H,19,20)(H,21,22).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 131939383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).