N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine

C12H21N3 — CID 107887002

IUPACN-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCC(C)n1cc(CNC2CC2)cn1
InChIInChI=1S/C12H21N3/c1-3-4-10(2)15-9-11(8-14-15)7-13-12-5-6-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyWBNACEJFUAYQQV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds6

About N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 107887002) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID107887002
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCC(C)n1cc(CNC2CC2)cn1
InChIInChI=1S/C12H21N3/c1-3-4-10(2)15-9-11(8-14-15)7-13-12-5-6-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyWBNACEJFUAYQQV-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
1-[(2R)-pentan-2-yl]pyrazol-4-amine
CID 95212149
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
1-(1-pentan-2-ylpyrazol-4-yl)ethanol
CID 107887185
1-pentan-2-ylpyrazole-4-carbonitrile
CID 126972627

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine (CID 107887002) is N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine is CCCC(C)n1cc(CNC2CC2)cn1.
What is the InChIKey of N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is WBNACEJFUAYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-10(2)15-9-11(8-14-15)7-13-12-5-6-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).