1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide

C12H20N4O — CID 71971928

IUPAC1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
SMILESCn1cc(CNC2(C(N)=O)CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-15-16)7-14-12(11(13)17)5-3-2-4-6-12/h8-9,14H,2-7H2,1H3,(H2,13,17)
InChIKeyTXIAVZWGSKINCY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.70
Rot. Bonds4

About 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide

1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 71971928) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID71971928
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
SMILESCn1cc(CNC2(C(N)=O)CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-15-16)7-14-12(11(13)17)5-3-2-4-6-12/h8-9,14H,2-7H2,1H3,(H2,13,17)
InChIKeyTXIAVZWGSKINCY-UHFFFAOYSA-N
XLogP0.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide (CID 71971928) is 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide is Cn1cc(CNC2(C(N)=O)CCCCC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is TXIAVZWGSKINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-9-10(8-15-16)7-14-12(11(13)17)5-3-2-4-6-12/h8-9,14H,2-7H2,1H3,(H2,13,17).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71971928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).