N-(1H-pyrazol-5-ylmethyl)heptan-3-amine

C11H21N3 — CID 63946149

IUPACN-(1H-pyrazol-5-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccn[nH]1
InChIInChI=1S/C11H21N3/c1-3-5-6-10(4-2)12-9-11-7-8-13-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyNUQRJIWIFQEGRM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.47
Rot. Bonds7

About N-(1H-pyrazol-5-ylmethyl)heptan-3-amine

N-(1H-pyrazol-5-ylmethyl)heptan-3-amine (PubChem CID 63946149) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)heptan-3-amine
PubChem CID63946149
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(1H-pyrazol-5-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccn[nH]1
InChIInChI=1S/C11H21N3/c1-3-5-6-10(4-2)12-9-11-7-8-13-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyNUQRJIWIFQEGRM-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61285482
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)heptan-3-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)heptan-3-amine (CID 63946149) is N-(1H-pyrazol-5-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)heptan-3-amine is CCCCC(CC)NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)heptan-3-amine?
The InChIKey is NUQRJIWIFQEGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-10(4-2)12-9-11-7-8-13-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)heptan-3-amine?
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)heptan-3-amine is sourced from PubChem (CID 63946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).