1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea

C20H34N6O — CID 95973620

IUPAC1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)c1cnn(CC)c1
InChIInChI=1S/C20H34N6O/c1-9-15(14-12-21-25(10-2)13-14)22-18(27)23-17-11-16(19(3,4)5)24-26(17)20(6,7)8/h11-13,15H,9-10H2,1-8H3,(H2,22,23,27)/t15-/m0/s1
InChIKeyFYGYQVYFXPZHKE-HNNXBMFYSA-N
MW374.53 g/mol
LogP4.42
Rot. Bonds5

About 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea

1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea (PubChem CID 95973620) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
PubChem CID95973620
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)c1cnn(CC)c1
InChIInChI=1S/C20H34N6O/c1-9-15(14-12-21-25(10-2)13-14)22-18(27)23-17-11-16(19(3,4)5)24-26(17)20(6,7)8/h11-13,15H,9-10H2,1-8H3,(H2,22,23,27)/t15-/m0/s1
InChIKeyFYGYQVYFXPZHKE-HNNXBMFYSA-N
XLogP4.42
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea with MolForge

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Related Compounds

N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95916438
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-methylphenyl)urea
CID 770901
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926302
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-3-methylpyridazine-4-carboxamide
CID 97096504
5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 167921765
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
CID 97217056
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42733934
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 5176067
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea (CID 95973620) is 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea is CC[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)c1cnn(CC)c1.
What is the InChIKey of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea?
The InChIKey is FYGYQVYFXPZHKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-9-15(14-12-21-25(10-2)13-14)22-18(27)23-17-11-16(19(3,4)5)24-26(17)20(6,7)8/h11-13,15H,9-10H2,1-8H3,(H2,22,23,27)/t15-/m0/s1.
What are the key properties of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea?
1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea has a molecular weight of 374.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 95973620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).