N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine

C14H25N3 — CID 103561852

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1[nH]ncc1CCCNC1CC(C(C)C)C1
InChIInChI=1S/C14H25N3/c1-10(2)13-7-14(8-13)15-6-4-5-12-9-16-17-11(12)3/h9-10,13-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyVNXROVRJGHFWMQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.67
Rot. Bonds6

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561852) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561852
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1[nH]ncc1CCCNC1CC(C(C)C)C1
InChIInChI=1S/C14H25N3/c1-10(2)13-7-14(8-13)15-6-4-5-12-9-16-17-11(12)3/h9-10,13-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyVNXROVRJGHFWMQ-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine (CID 103561852) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine is Cc1[nH]ncc1CCCNC1CC(C(C)C)C1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is VNXROVRJGHFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13-7-14(8-13)15-6-4-5-12-9-16-17-11(12)3/h9-10,13-15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).