N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide

C16H25N5O2 — CID 102554201

IUPACN-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
SMILESCCC(C)C(O)CNC(=O)c1c(C)nn(C)c1-n1ccnc1C
InChIInChI=1S/C16H25N5O2/c1-6-10(2)13(22)9-18-15(23)14-11(3)19-20(5)16(14)21-8-7-17-12(21)4/h7-8,10,13,22H,6,9H2,1-5H3,(H,18,23)
InChIKeyBGZMYVYWHNTTRR-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.36
Rot. Bonds6

About N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide

N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide (PubChem CID 102554201) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
PubChem CID102554201
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
SMILESCCC(C)C(O)CNC(=O)c1c(C)nn(C)c1-n1ccnc1C
InChIInChI=1S/C16H25N5O2/c1-6-10(2)13(22)9-18-15(23)14-11(3)19-20(5)16(14)21-8-7-17-12(21)4/h7-8,10,13,22H,6,9H2,1-5H3,(H,18,23)
InChIKeyBGZMYVYWHNTTRR-UHFFFAOYSA-N
XLogP1.36
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 166430013
N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282174
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106117786
N-(3-bromobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114312498
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-[2-(diethylamino)ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114224
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide (CID 102554201) is N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide is CCC(C)C(O)CNC(=O)c1c(C)nn(C)c1-n1ccnc1C.
What is the InChIKey of N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The InChIKey is BGZMYVYWHNTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-6-10(2)13(22)9-18-15(23)14-11(3)19-20(5)16(14)21-8-7-17-12(21)4/h7-8,10,13,22H,6,9H2,1-5H3,(H,18,23).
What are the key properties of N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylpentyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).