N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline

C16H22N4 — CID 43231929

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCn1cc(CNc2ccc(CN3CCCC3)cc2)cn1
InChIInChI=1S/C16H22N4/c1-19-12-15(11-18-19)10-17-16-6-4-14(5-7-16)13-20-8-2-3-9-20/h4-7,11-12,17H,2-3,8-10,13H2,1H3
InChIKeyJMDKETKACNWWHZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline

N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 43231929) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID43231929
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCn1cc(CNc2ccc(CN3CCCC3)cc2)cn1
InChIInChI=1S/C16H22N4/c1-19-12-15(11-18-19)10-17-16-6-4-14(5-7-16)13-20-8-2-3-9-20/h4-7,11-12,17H,2-3,8-10,13H2,1H3
InChIKeyJMDKETKACNWWHZ-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 83960875
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
2-(azepan-1-yl)-N-[4-[(1-benzylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 112839507
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
3-chloro-4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54864079
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline (CID 43231929) is N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline is Cn1cc(CNc2ccc(CN3CCCC3)cc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is JMDKETKACNWWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-12-15(11-18-19)10-17-16-6-4-14(5-7-16)13-20-8-2-3-9-20/h4-7,11-12,17H,2-3,8-10,13H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline?
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 43231929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).