N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C14H21N5O — CID 19264482

IUPACN-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H21N5O/c1-2-3-4-5-8-15-14(20)13-7-11-19(17-13)12-18-10-6-9-16-18/h6-7,9-11H,2-5,8,12H2,1H3,(H,15,20)
InChIKeyLCRUCTYTGWOPJU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.90
Rot. Bonds8

About N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264482) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264482
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H21N5O/c1-2-3-4-5-8-15-14(20)13-7-11-19(17-13)12-18-10-6-9-16-18/h6-7,9-11H,2-5,8,12H2,1H3,(H,15,20)
InChIKeyLCRUCTYTGWOPJU-UHFFFAOYSA-N
XLogP1.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19264186
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
CID 19269231
1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19271612
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264533
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
N-hexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 17023112
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264482) is N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is CCCCCCNC(=O)c1ccn(Cn2cccn2)n1.
What is the InChIKey of N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is LCRUCTYTGWOPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-3-4-5-8-15-14(20)13-7-11-19(17-13)12-18-10-6-9-16-18/h6-7,9-11H,2-5,8,12H2,1H3,(H,15,20).
What are the key properties of N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).