N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine

C14H13N3 — CID 62022596

IUPACN-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCc3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H13N3/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-11-9-16-17-10-11/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyOTQKBPTWYFUMIO-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine

N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine (PubChem CID 62022596) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
PubChem CID62022596
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCc3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H13N3/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-11-9-16-17-10-11/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyOTQKBPTWYFUMIO-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 762796
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N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
CID 62022406
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
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2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
CID 130629181
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
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CID 63881509
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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine (CID 62022596) is N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine is c1ccc2cc(NCc3cn[nH]c3)ccc2c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine?
The InChIKey is OTQKBPTWYFUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-13-7-14(6-5-12(13)3-1)15-8-11-9-16-17-10-11/h1-7,9-10,15H,8H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine?
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 62022596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).