2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile

C15H18N4 — CID 114555253

IUPAC2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
SMILESCCCn1nccc1CNc1ccc(CC#N)cc1
InChIInChI=1S/C15H18N4/c1-2-11-19-15(8-10-18-19)12-17-14-5-3-13(4-6-14)7-9-16/h3-6,8,10,17H,2,7,11-12H2,1H3
InChIKeyVOZWGUXQVUVAIN-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile

2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile (PubChem CID 114555253) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
PubChem CID114555253
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
SMILESCCCn1nccc1CNc1ccc(CC#N)cc1
InChIInChI=1S/C15H18N4/c1-2-11-19-15(8-10-18-19)12-17-14-5-3-13(4-6-14)7-9-16/h3-6,8,10,17H,2,7,11-12H2,1H3
InChIKeyVOZWGUXQVUVAIN-UHFFFAOYSA-N
XLogP2.97
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
CID 114555413
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 114554811
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile (CID 114555253) is 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile is CCCn1nccc1CNc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile?
The InChIKey is VOZWGUXQVUVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-11-19-15(8-10-18-19)12-17-14-5-3-13(4-6-14)7-9-16/h3-6,8,10,17H,2,7,11-12H2,1H3.
What are the key properties of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile?
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile is sourced from PubChem (CID 114555253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).