1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

C18H22N4O — CID 71893433

IUPAC1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C18H22N4O/c23-18(21-17(14-5-6-14)15-7-8-15)19-11-12-1-3-13(4-2-12)16-9-10-20-22-16/h1-4,9-10,14-15,17H,5-8,11H2,(H,20,22)(H2,19,21,23)
InChIKeyNCBZSGFSWAUPQY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (PubChem CID 71893433) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
PubChem CID71893433
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C18H22N4O/c23-18(21-17(14-5-6-14)15-7-8-15)19-11-12-1-3-13(4-2-12)16-9-10-20-22-16/h1-4,9-10,14-15,17H,5-8,11H2,(H,20,22)(H2,19,21,23)
InChIKeyNCBZSGFSWAUPQY-UHFFFAOYSA-N
XLogP3.06
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
1-[(3S)-2-oxoazepan-3-yl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 97078096
1-[[(3S)-oxolan-3-yl]methyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94181232
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
1-[(1R,3S)-3-methylsulfanylcyclopentyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 96518795
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141348
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94031495
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
4-hydroxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61240025

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (CID 71893433) is 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The InChIKey is NCBZSGFSWAUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-17(14-5-6-14)15-7-8-15)19-11-12-1-3-13(4-2-12)16-9-10-20-22-16/h1-4,9-10,14-15,17H,5-8,11H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is sourced from PubChem (CID 71893433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).