4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine

C13H23N3 — CID 65079880

IUPAC4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCc1[nH]ncc1CNC1CCCC(C)CC1
InChIInChI=1S/C13H23N3/c1-10-4-3-5-13(7-6-10)14-8-12-9-15-16-11(12)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUMDMDCPCGUUXCQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.78
Rot. Bonds3

About 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine

4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine (PubChem CID 65079880) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
PubChem CID65079880
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCc1[nH]ncc1CNC1CCCC(C)CC1
InChIInChI=1S/C13H23N3/c1-10-4-3-5-13(7-6-10)14-8-12-9-15-16-11(12)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUMDMDCPCGUUXCQ-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61003066
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748994
3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 103081583
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one
CID 63887122
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 56821604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine (CID 65079880) is 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine is Cc1[nH]ncc1CNC1CCCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is UMDMDCPCGUUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-3-5-13(7-6-10)14-8-12-9-15-16-11(12)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine?
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).