1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

C18H29N5O — CID 95759882

IUPAC1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H29N5O/c1-22-17-8-4-7-16(15(17)11-19-22)21-18(24)20-13-9-10-23(12-13)14-5-2-3-6-14/h11,13-14,16H,2-10,12H2,1H3,(H2,20,21,24)/t13-,16+/m0/s1
InChIKeyPFUJFQXOSAANTF-XJKSGUPXSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds3

About 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 95759882) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
PubChem CID95759882
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H29N5O/c1-22-17-8-4-7-16(15(17)11-19-22)21-18(24)20-13-9-10-23(12-13)14-5-2-3-6-14/h11,13-14,16H,2-10,12H2,1H3,(H2,20,21,24)/t13-,16+/m0/s1
InChIKeyPFUJFQXOSAANTF-XJKSGUPXSA-N
XLogP2.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
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CID 42958313
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485291
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 94178850
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97050768
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide
CID 64823360
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The IUPAC name of 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 95759882) is 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.
What is the SMILES notation for 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The canonical SMILES for 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is Cn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CCN(C2CCCC2)C1.
What is the InChIKey of 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The InChIKey is PFUJFQXOSAANTF-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H29N5O/c1-22-17-8-4-7-16(15(17)11-19-22)21-18(24)20-13-9-10-23(12-13)14-5-2-3-6-14/h11,13-14,16H,2-10,12H2,1H3,(H2,20,21,24)/t13-,16+/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 95759882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).