N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H24N4O — CID 106123491

IUPACN-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C14H24N4O/c1-9-13(10(2)18(3)17-9)14(19)16-8-11-5-4-6-12(15)7-11/h11-12H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyNCLSIPBWIVQTBB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 106123491) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID106123491
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C14H24N4O/c1-9-13(10(2)18(3)17-9)14(19)16-8-11-5-4-6-12(15)7-11/h11-12H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyNCLSIPBWIVQTBB-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 106123491) is N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is NCLSIPBWIVQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-13(10(2)18(3)17-9)14(19)16-8-11-5-4-6-12(15)7-11/h11-12H,4-8,15H2,1-3H3,(H,16,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106123491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).