1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine

C14H18N4 — CID 151862758

IUPAC1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
SMILESCc1cnn(-c2ccccc2)c1N1CCC(N)C1
InChIInChI=1S/C14H18N4/c1-11-9-16-18(13-5-3-2-4-6-13)14(11)17-8-7-12(15)10-17/h2-6,9,12H,7-8,10,15H2,1H3
InChIKeySLBAQSMYSBJKII-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine

1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine (PubChem CID 151862758) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
PubChem CID151862758
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine
SMILESCc1cnn(-c2ccccc2)c1N1CCC(N)C1
InChIInChI=1S/C14H18N4/c1-11-9-16-18(13-5-3-2-4-6-13)14(11)17-8-7-12(15)10-17/h2-6,9,12H,7-8,10,15H2,1H3
InChIKeySLBAQSMYSBJKII-UHFFFAOYSA-N
XLogP1.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-phenylpyrazol-4-yl)piperidin-4-amine
CID 117210577
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
CID 117210766
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210939
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
CID 117210699

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine (CID 151862758) is 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine is Cc1cnn(-c2ccccc2)c1N1CCC(N)C1.
What is the InChIKey of 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine?
The InChIKey is SLBAQSMYSBJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-9-16-18(13-5-3-2-4-6-13)14(11)17-8-7-12(15)10-17/h2-6,9,12H,7-8,10,15H2,1H3.
What are the key properties of 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine?
1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-phenylpyrazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 151862758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).