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

C17H24N4 — CID 114555092

IUPACN-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCCCn1nccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-2-11-21-15(9-10-19-21)14-18-16-7-3-4-8-17(16)20-12-5-6-13-20/h3-4,7-10,18H,2,5-6,11-14H2,1H3
InChIKeyONNIHQNTTGHVJP-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.51
Rot. Bonds6

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

N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline (PubChem CID 114555092) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
PubChem CID114555092
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCCCn1nccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-2-11-21-15(9-10-19-21)14-18-16-7-3-4-8-17(16)20-12-5-6-13-20/h3-4,7-10,18H,2,5-6,11-14H2,1H3
InChIKeyONNIHQNTTGHVJP-UHFFFAOYSA-N
XLogP3.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
CID 91650833
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(2-propylpyrazol-3-yl)methyl]piperidin-1-amine
CID 114556039
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline (CID 114555092) is N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline is CCCn1nccc1CNc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is ONNIHQNTTGHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-11-21-15(9-10-19-21)14-18-16-7-3-4-8-17(16)20-12-5-6-13-20/h3-4,7-10,18H,2,5-6,11-14H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 114555092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).