N-(cyclopentylideneamino)-1-methylpyrazol-3-amine

C9H14N4 — CID 130620228

IUPACN-(cyclopentylideneamino)-1-methylpyrazol-3-amine
SMILESCn1ccc(NN=C2CCCC2)n1
InChIInChI=1S/C9H14N4/c1-13-7-6-9(12-13)11-10-8-4-2-3-5-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyOGVSHNSDVKCNRK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.76
Rot. Bonds2

About N-(cyclopentylideneamino)-1-methylpyrazol-3-amine

N-(cyclopentylideneamino)-1-methylpyrazol-3-amine (PubChem CID 130620228) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-1-methylpyrazol-3-amine
PubChem CID130620228
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-(cyclopentylideneamino)-1-methylpyrazol-3-amine
SMILESCn1ccc(NN=C2CCCC2)n1
InChIInChI=1S/C9H14N4/c1-13-7-6-9(12-13)11-10-8-4-2-3-5-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyOGVSHNSDVKCNRK-UHFFFAOYSA-N
XLogP1.76
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylpyrazol-3-yl)amino]cyclopentan-1-ol
CID 79778963
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
CID 75525830
N-(cyclopentylmethyl)-1-methylpyrazol-3-amine
CID 62072265
N-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18152532
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
CID 79778379
1-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]pyrazol-3-amine
CID 103568692
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
CID 60810473
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-1-methylpyrazol-3-amine?
The IUPAC name of N-(cyclopentylideneamino)-1-methylpyrazol-3-amine (CID 130620228) is N-(cyclopentylideneamino)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(cyclopentylideneamino)-1-methylpyrazol-3-amine is Cn1ccc(NN=C2CCCC2)n1.
What is the InChIKey of N-(cyclopentylideneamino)-1-methylpyrazol-3-amine?
The InChIKey is OGVSHNSDVKCNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-13-7-6-9(12-13)11-10-8-4-2-3-5-8/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(cyclopentylideneamino)-1-methylpyrazol-3-amine?
N-(cyclopentylideneamino)-1-methylpyrazol-3-amine has a molecular weight of 178.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-1-methylpyrazol-3-amine is sourced from PubChem (CID 130620228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).