1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea

C17H32N6O — CID 167792435

IUPAC1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
SMILESCCC(C)n1nccc1NC(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H32N6O/c1-6-14(2)23-15(7-8-19-23)20-16(24)18-13-17(3,4)22-11-9-21(5)10-12-22/h7-8,14H,6,9-13H2,1-5H3,(H2,18,20,24)
InChIKeyPCDGBUWZYCUKDU-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.00
Rot. Bonds6

About 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea

1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea (PubChem CID 167792435) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
PubChem CID167792435
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
SMILESCCC(C)n1nccc1NC(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H32N6O/c1-6-14(2)23-15(7-8-19-23)20-16(24)18-13-17(3,4)22-11-9-21(5)10-12-22/h7-8,14H,6,9-13H2,1-5H3,(H2,18,20,24)
InChIKeyPCDGBUWZYCUKDU-UHFFFAOYSA-N
XLogP2.00
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea with MolForge

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Related Compounds

1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
CID 125167603
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24657964
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191783
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 97217564
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 81228576

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea (CID 167792435) is 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea is CCC(C)n1nccc1NC(=O)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea?
The InChIKey is PCDGBUWZYCUKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-6-14(2)23-15(7-8-19-23)20-16(24)18-13-17(3,4)22-11-9-21(5)10-12-22/h7-8,14H,6,9-13H2,1-5H3,(H2,18,20,24).
What are the key properties of 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea?
1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 167792435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).