N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine

C13H21N5 — CID 103014934

IUPACN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CCc2ccnn2C)c1
InChIInChI=1S/C13H21N5/c1-11(2)14-8-12-9-16-18(10-12)7-5-13-4-6-15-17(13)3/h4,6,9-11,14H,5,7-8H2,1-3H3
InChIKeyYXBLMEIHPNTOJH-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.36
Rot. Bonds6

About N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 103014934) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID103014934
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CCc2ccnn2C)c1
InChIInChI=1S/C13H21N5/c1-11(2)14-8-12-9-16-18(10-12)7-5-13-4-6-15-17(13)3/h4,6,9-11,14H,5,7-8H2,1-3H3
InChIKeyYXBLMEIHPNTOJH-UHFFFAOYSA-N
XLogP1.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
CID 65177937
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
CID 103019834
N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 103000028

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine (CID 103014934) is N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(CCc2ccnn2C)c1.
What is the InChIKey of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YXBLMEIHPNTOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(2)14-8-12-9-16-18(10-12)7-5-13-4-6-15-17(13)3/h4,6,9-11,14H,5,7-8H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 103014934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).