1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea

C16H29N5O — CID 97248271

IUPAC1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC)CC1
InChIInChI=1S/C16H29N5O/c1-4-10-20-11-7-14(8-12-20)18-16(22)19-15-6-9-17-21(15)13(3)5-2/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H2,18,19,22)/t13-/m0/s1
InChIKeyKFKONJFGQLZUFK-ZDUSSCGKSA-N
MW307.44 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea

1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea (PubChem CID 97248271) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
PubChem CID97248271
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC)CC1
InChIInChI=1S/C16H29N5O/c1-4-10-20-11-7-14(8-12-20)18-16(22)19-15-6-9-17-21(15)13(3)5-2/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H2,18,19,22)/t13-/m0/s1
InChIKeyKFKONJFGQLZUFK-ZDUSSCGKSA-N
XLogP2.85
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125163687
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 46992547
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 124619687
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
CID 140907563
1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
CID 167792435
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
CID 125167603

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea (CID 97248271) is 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)CC)CC1.
What is the InChIKey of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is KFKONJFGQLZUFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N5O/c1-4-10-20-11-7-14(8-12-20)18-16(22)19-15-6-9-17-21(15)13(3)5-2/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea?
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 307.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 97248271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).