N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline

C16H19N5 — CID 66130745

IUPACN-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCCCn1cncc1CNc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H19N5/c1-2-9-21-12-17-10-15(21)11-18-14-5-3-13(4-6-14)16-7-8-19-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,19,20)
InChIKeyNDGCWVUZKLCUTG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds6

About N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline

N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline (PubChem CID 66130745) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
PubChem CID66130745
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCCCn1cncc1CNc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H19N5/c1-2-9-21-12-17-10-15(21)11-18-14-5-3-13(4-6-14)16-7-8-19-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,19,20)
InChIKeyNDGCWVUZKLCUTG-UHFFFAOYSA-N
XLogP3.30
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729
N-[(3-propylimidazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 66129543
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759823
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline (CID 66130745) is N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline is CCCn1cncc1CNc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is NDGCWVUZKLCUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-9-21-12-17-10-15(21)11-18-14-5-3-13(4-6-14)16-7-8-19-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,19,20).
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline?
N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 66130745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).