N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C11H21N3 — CID 61270583

IUPACN-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnn(C(C)CC)c1
InChIInChI=1S/C11H21N3/c1-4-6-12-7-11-8-13-14(9-11)10(3)5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyKIYTWPGAJZRPNX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.35
Rot. Bonds6

About N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine

N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 61270583) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID61270583
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnn(C(C)CC)c1
InChIInChI=1S/C11H21N3/c1-4-6-12-7-11-8-13-14(9-11)10(3)5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyKIYTWPGAJZRPNX-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.35
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-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
1-butan-2-yl-4-ethylpyrazole
CID 153355505
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235
3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
CID 146554374
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
CID 62731753
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 61270583) is N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine is CCCNCc1cnn(C(C)CC)c1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is KIYTWPGAJZRPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-12-7-11-8-13-14(9-11)10(3)5-2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 61270583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).