1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine

C15H20N4 — CID 82171682

IUPAC1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(CN3CCCC3)c2N)cc1
InChIInChI=1S/C15H20N4/c1-12-4-6-14(7-5-12)19-15(16)13(10-17-19)11-18-8-2-3-9-18/h4-7,10H,2-3,8-9,11,16H2,1H3
InChIKeyDALOMDXCXAHVOS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine

1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine (PubChem CID 82171682) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
PubChem CID82171682
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
SMILESCc1ccc(-n2ncc(CN3CCCC3)c2N)cc1
InChIInChI=1S/C15H20N4/c1-12-4-6-14(7-5-12)19-15(16)13(10-17-19)11-18-8-2-3-9-18/h4-7,10H,2-3,8-9,11,16H2,1H3
InChIKeyDALOMDXCXAHVOS-UHFFFAOYSA-N
XLogP2.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 82171705
1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171714
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
4-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
CID 134424619
1-methyl-4-[(3-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171619
2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine
CID 59438219
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine
CID 4780564
5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile
CID 2448280

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine (CID 82171682) is 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine is Cc1ccc(-n2ncc(CN3CCCC3)c2N)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
The InChIKey is DALOMDXCXAHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-4-6-14(7-5-12)19-15(16)13(10-17-19)11-18-8-2-3-9-18/h4-7,10H,2-3,8-9,11,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine?
1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 82171682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).