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

C15H20N4 — CID 43684265

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCn1nccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N4/c1-18-13(8-9-17-18)12-16-14-6-2-3-7-15(14)19-10-4-5-11-19/h2-3,6-9,16H,4-5,10-12H2,1H3
InChIKeyXXCCCMBSKXCKIL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds4

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

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline (PubChem CID 43684265) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
PubChem CID43684265
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCn1nccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H20N4/c1-18-13(8-9-17-18)12-16-14-6-2-3-7-15(14)19-10-4-5-11-19/h2-3,6-9,16H,4-5,10-12H2,1H3
InChIKeyXXCCCMBSKXCKIL-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline
CID 75449187
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43433440
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
N-[(2-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43663157
1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
CID 91650833
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline (CID 43684265) is N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline is Cn1nccc1CNc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is XXCCCMBSKXCKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-13(8-9-17-18)12-16-14-6-2-3-7-15(14)19-10-4-5-11-19/h2-3,6-9,16H,4-5,10-12H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline?
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 256.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43684265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).