N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline

C16H19N5 — CID 114555172

IUPACN-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCCCn1nccc1CNc1ccccc1-n1cccn1
InChIInChI=1S/C16H19N5/c1-2-11-20-14(8-10-19-20)13-17-15-6-3-4-7-16(15)21-12-5-9-18-21/h3-10,12,17H,2,11,13H2,1H3
InChIKeyUABKZDVBYOTPRQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline

N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 114555172) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID114555172
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCCCn1nccc1CNc1ccccc1-n1cccn1
InChIInChI=1S/C16H19N5/c1-2-11-20-14(8-10-19-20)13-17-15-6-3-4-7-16(15)21-12-5-9-18-21/h3-10,12,17H,2,11,13H2,1H3
InChIKeyUABKZDVBYOTPRQ-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555445
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 75505630
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
CID 91650833
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline (CID 114555172) is N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline is CCCn1nccc1CNc1ccccc1-n1cccn1.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is UABKZDVBYOTPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-11-20-14(8-10-19-20)13-17-15-6-3-4-7-16(15)21-12-5-9-18-21/h3-10,12,17H,2,11,13H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline?
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 281.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 114555172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).