N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

C12H19N3 — CID 115696399

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCC(C)n1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)15-9-11(8-14-15)7-13-12-5-3-4-6-12/h3-4,8-10,12-13H,5-7H2,1-2H3
InChIKeyQVRDVAUGJFAOAN-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.27
Rot. Bonds4

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696399) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696399
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCC(C)n1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)15-9-11(8-14-15)7-13-12-5-3-4-6-12/h3-4,8-10,12-13H,5-7H2,1-2H3
InChIKeyQVRDVAUGJFAOAN-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107887002
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 113239717
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (CID 115696399) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is CC(C)n1cc(CNC2CC=CC2)cn1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is QVRDVAUGJFAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)15-9-11(8-14-15)7-13-12-5-3-4-6-12/h3-4,8-10,12-13H,5-7H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 205.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).