N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine

C12H23N3 — CID 61349817

IUPACN-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cnn(C)c1
InChIInChI=1S/C12H23N3/c1-4-6-12(7-5-2)13-8-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWRMPWKKFOLPABQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.48
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine

N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine (PubChem CID 61349817) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine
PubChem CID61349817
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cnn(C)c1
InChIInChI=1S/C12H23N3/c1-4-6-12(7-5-2)13-8-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWRMPWKKFOLPABQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine (CID 61349817) is N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine is CCCC(CCC)NCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine?
The InChIKey is WRMPWKKFOLPABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-12(7-5-2)13-8-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine?
N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine has a molecular weight of 209.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]heptan-4-amine is sourced from PubChem (CID 61349817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).