1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea

C18H35N5O — CID 71875681

IUPAC1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea
SMILESCc1cc(NC(=O)NC(CCN(C)C)C(C)(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C18H35N5O/c1-13-12-15(23(21-13)18(5,6)7)20-16(24)19-14(17(2,3)4)10-11-22(8)9/h12,14H,10-11H2,1-9H3,(H2,19,20,24)
InChIKeyWJZNCBMCCSRGHF-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea

1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea (PubChem CID 71875681) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea.

Molecular Properties

Compound Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea
PubChem CID71875681
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea
SMILESCc1cc(NC(=O)NC(CCN(C)C)C(C)(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C18H35N5O/c1-13-12-15(23(21-13)18(5,6)7)20-16(24)19-14(17(2,3)4)10-11-22(8)9/h12,14H,10-11H2,1-9H3,(H2,19,20,24)
InChIKeyWJZNCBMCCSRGHF-UHFFFAOYSA-N
XLogP3.43
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea with MolForge

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Related Compounds

ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(1S)-1-(2,6-difluorophenyl)ethyl]sulfanylacetamide
CID 95041881
2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 52908165
1-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(3-hydroxypropyl)urea
CID 111422941
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019824
(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
CID 119888444
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
CID 55726149
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide
CID 124726543
N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
CID 71940687
1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
CID 95973620

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea?
The IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea (CID 71875681) is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea.
What is the SMILES notation for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea?
The canonical SMILES for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea is Cc1cc(NC(=O)NC(CCN(C)C)C(C)(C)C)n(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea?
The InChIKey is WJZNCBMCCSRGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-13-12-15(23(21-13)18(5,6)7)20-16(24)19-14(17(2,3)4)10-11-22(8)9/h12,14H,10-11H2,1-9H3,(H2,19,20,24).
What are the key properties of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea?
1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea has a molecular weight of 337.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]urea is sourced from PubChem (CID 71875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).