N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline

C16H19N5 — CID 62957014

IUPACN-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
SMILESCCCn1ccnc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N5/c1-2-10-20-12-9-17-16(20)13-18-14-4-6-15(7-5-14)21-11-3-8-19-21/h3-9,11-12,18H,2,10,13H2,1H3
InChIKeyRWDKLCRQHKQTAG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

About N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline

N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 62957014) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
PubChem CID62957014
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
SMILESCCCn1ccnc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N5/c1-2-10-20-12-9-17-16(20)13-18-14-4-6-15(7-5-14)21-11-3-8-19-21/h3-9,11-12,18H,2,10,13H2,1H3
InChIKeyRWDKLCRQHKQTAG-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-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline (CID 62957014) is N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline is CCCn1ccnc1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is RWDKLCRQHKQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-10-20-12-9-17-16(20)13-18-14-4-6-15(7-5-14)21-11-3-8-19-21/h3-9,11-12,18H,2,10,13H2,1H3.
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline?
N-[(1-propylimidazol-2-yl)methyl]-4-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-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 62957014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).