N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

C12H20N4O — CID 79121302

IUPACN-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-8-7-11(15-14-8)12(17)16(2)10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyXNUYDBHZSDERBB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 79121302) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID79121302
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-8-7-11(15-14-8)12(17)16(2)10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyXNUYDBHZSDERBB-UHFFFAOYSA-N
XLogP1.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 79121302) is N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCC(N)CC2)n[nH]1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is XNUYDBHZSDERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-7-11(15-14-8)12(17)16(2)10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79121302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).