2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline

C24H29N5O — CID 151783408

IUPAC2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESNCc1c(-c2ccc(OC3CCCC3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C24H29N5O/c25-15-20-23(16-9-11-18(12-10-16)30-17-5-1-2-6-17)28-29-22(13-14-27-24(20)29)19-7-3-4-8-21(19)26/h3-4,7-12,17,22,27H,1-2,5-6,13-15,25-26H2
InChIKeyRVCCLVMFDHYLIF-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.32
Rot. Bonds5

About 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline

2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline (PubChem CID 151783408) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
PubChem CID151783408
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESNCc1c(-c2ccc(OC3CCCC3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C24H29N5O/c25-15-20-23(16-9-11-18(12-10-16)30-17-5-1-2-6-17)28-29-22(13-14-27-24(20)29)19-7-3-4-8-21(19)26/h3-4,7-12,17,22,27H,1-2,5-6,13-15,25-26H2
InChIKeyRVCCLVMFDHYLIF-UHFFFAOYSA-N
XLogP4.32
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928141
7-(2-aminophenyl)-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137032437
(7R)-7-(3-aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228120
2-(4-phenoxyphenyl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 144736070
[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 82483039
(7S)-2-(4-phenylmethoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228132
2-[4-(4-fluorophenoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983709
[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine
CID 82305604
2-(4-cyclopentyloxyphenyl)pyrimidin-5-amine
CID 82299238
2-(aminomethyl)-4-cyclopentyloxyaniline
CID 82507186
2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 141404090
difluoromethanol;N-[2-[2-(4-fluorophenyl)-3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]phenyl]prop-2-enamide;methanamine
CID 144735998

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The IUPAC name of 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline (CID 151783408) is 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline.
What is the SMILES notation for 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The canonical SMILES for 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline is NCc1c(-c2ccc(OC3CCCC3)cc2)nn2c1NCCC2c1ccccc1N.
What is the InChIKey of 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The InChIKey is RVCCLVMFDHYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c25-15-20-23(16-9-11-18(12-10-16)30-17-5-1-2-6-17)28-29-22(13-14-27-24(20)29)19-7-3-4-8-21(19)26/h3-4,7-12,17,22,27H,1-2,5-6,13-15,25-26H2.
What are the key properties of 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline?
2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline has a molecular weight of 403.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline is sourced from PubChem (CID 151783408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).