1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine

C17H24N4 — CID 43768843

IUPAC1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N4/c1-13-17(14(2)20(3)19-13)18-12-15-6-8-16(9-7-15)21-10-4-5-11-21/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyLHAOZQHEMNYMMT-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.25
Rot. Bonds4

About 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine

1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine (PubChem CID 43768843) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
PubChem CID43768843
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N4/c1-13-17(14(2)20(3)19-13)18-12-15-6-8-16(9-7-15)21-10-4-5-11-21/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyLHAOZQHEMNYMMT-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 43547187
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
ethane;hydroxy-[6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-[(1,3,5-trimethylpyrazol-4-yl)amino]sulfanium
CID 143951938

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine (CID 43768843) is 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine?
The InChIKey is LHAOZQHEMNYMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-17(14(2)20(3)19-13)18-12-15-6-8-16(9-7-15)21-10-4-5-11-21/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43768843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).