N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine

C10H17N3 — CID 107165972

IUPACN-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCC1(CNCCn2cccn2)CC1
InChIInChI=1S/C10H17N3/c1-10(3-4-10)9-11-6-8-13-7-2-5-12-13/h2,5,7,11H,3-4,6,8-9H2,1H3
InChIKeyBMEBHNSQFKNFNN-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.27
Rot. Bonds5

About N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine

N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 107165972) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID107165972
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCC1(CNCCn2cccn2)CC1
InChIInChI=1S/C10H17N3/c1-10(3-4-10)9-11-6-8-13-7-2-5-12-13/h2,5,7,11H,3-4,6,8-9H2,1H3
InChIKeyBMEBHNSQFKNFNN-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-pyrazol-1-ylethanamine
CID 114757545
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-pyrazol-1-ylethanamine
CID 115363274
N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104586770
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine (CID 107165972) is N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine is CC1(CNCCn2cccn2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is BMEBHNSQFKNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(3-4-10)9-11-6-8-13-7-2-5-12-13/h2,5,7,11H,3-4,6,8-9H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine?
N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 107165972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).