N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H25N5O — CID 56552805

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)n[nH]1
InChIInChI=1S/C17H25N5O/c1-11(2)14-10-15(21-20-14)17(23)18-16-9-13(19-22-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H,20,21)(H2,18,19,22,23)
InChIKeyFFTRFWXVARXABV-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.63
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56552805) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56552805
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)n[nH]1
InChIInChI=1S/C17H25N5O/c1-11(2)14-10-15(21-20-14)17(23)18-16-9-13(19-22-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H,20,21)(H2,18,19,22,23)
InChIKeyFFTRFWXVARXABV-UHFFFAOYSA-N
XLogP3.63
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56552805) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)n[nH]1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FFTRFWXVARXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)14-10-15(21-20-14)17(23)18-16-9-13(19-22-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H,20,21)(H2,18,19,22,23).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56552805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).