3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea

C18H22N4O — CID 122560770

IUPAC3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)NC1(C2CC2)CC1
InChIInChI=1S/C18H22N4O/c1-22(17(23)19-18(9-10-18)14-7-8-14)12-15-11-16(21-20-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUWLYJVISZMVEAU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds5

About 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea

3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea (PubChem CID 122560770) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
PubChem CID122560770
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)NC1(C2CC2)CC1
InChIInChI=1S/C18H22N4O/c1-22(17(23)19-18(9-10-18)14-7-8-14)12-15-11-16(21-20-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,23)(H,20,21)
InChIKeyUWLYJVISZMVEAU-UHFFFAOYSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
CID 154901670
N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131893148
1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 126430865
N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 46996473
3-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol;dihydrochloride
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CID 62111862
[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
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5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 87046423
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
CID 90651231
(2S)-1-[3-(1H-benzimidazol-3-ium-2-yl)propanoyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea?
The IUPAC name of 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea (CID 122560770) is 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea?
The canonical SMILES for 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea is CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)NC1(C2CC2)CC1.
What is the InChIKey of 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea?
The InChIKey is UWLYJVISZMVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(17(23)19-18(9-10-18)14-7-8-14)12-15-11-16(21-20-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea?
3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea is sourced from PubChem (CID 122560770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).