N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine

C13H21N5 — CID 114197664

IUPACN-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccnn1C(C)C
InChIInChI=1S/C13H21N5/c1-5-14-13(11-7-9-17(4)16-11)12-6-8-15-18(12)10(2)3/h6-10,13-14H,5H2,1-4H3
InChIKeyOWQYOQBEMATBAL-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.90
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114197664) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID114197664
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccnn1C(C)C
InChIInChI=1S/C13H21N5/c1-5-14-13(11-7-9-17(4)16-11)12-6-8-15-18(12)10(2)3/h6-10,13-14H,5H2,1-4H3
InChIKeyOWQYOQBEMATBAL-UHFFFAOYSA-N
XLogP1.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 114654538
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197719
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200330
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200228

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine (CID 114197664) is N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccnn1C(C)C.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is OWQYOQBEMATBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-14-13(11-7-9-17(4)16-11)12-6-8-15-18(12)10(2)3/h6-10,13-14H,5H2,1-4H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114197664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).