N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline

C16H22N4 — CID 79578369

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCc1c(CNc2ccccc2N2CCCC2)cnn1C
InChIInChI=1S/C16H22N4/c1-13-14(12-18-19(13)2)11-17-15-7-3-4-8-16(15)20-9-5-6-10-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyKRVGAVHQMHBTCU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.94
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline (PubChem CID 79578369) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
PubChem CID79578369
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESCc1c(CNc2ccccc2N2CCCC2)cnn1C
InChIInChI=1S/C16H22N4/c1-13-14(12-18-19(13)2)11-17-15-7-3-4-8-16(15)20-9-5-6-10-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyKRVGAVHQMHBTCU-UHFFFAOYSA-N
XLogP2.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-iodo-2-methylaniline
CID 113368513
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline (CID 79578369) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline is Cc1c(CNc2ccccc2N2CCCC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is KRVGAVHQMHBTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-14(12-18-19(13)2)11-17-15-7-3-4-8-16(15)20-9-5-6-10-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 270.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 79578369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).