1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine

C13H23N3 — CID 114555624

IUPAC1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1nccc1CNC1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-3-10-16-12(6-9-15-16)11-14-13(2)7-4-5-8-13/h6,9,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyQOQJYMUBIVBOTI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine

1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 114555624) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID114555624
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1nccc1CNC1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-3-10-16-12(6-9-15-16)11-14-13(2)7-4-5-8-13/h6,9,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyQOQJYMUBIVBOTI-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 107163325
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
N-[(2-propylpyrazol-3-yl)methyl]piperidin-1-amine
CID 114556039
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555851
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine (CID 114555624) is 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine is CCCn1nccc1CNC1(C)CCCC1.
What is the InChIKey of 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is QOQJYMUBIVBOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10-16-12(6-9-15-16)11-14-13(2)7-4-5-8-13/h6,9,14H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine?
1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114555624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).