1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea

C19H27N5O — CID 71856059

IUPAC1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cnn(C(C)C)c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C19H27N5O/c1-14(2)24-13-17(12-20-24)22-19(25)21-15(3)16-7-6-8-18(11-16)23-9-4-5-10-23/h6-8,11-15H,4-5,9-10H2,1-3H3,(H2,21,22,25)
InChIKeyDELWQYORZJBTMW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.95
Rot. Bonds5

About 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea

1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea (PubChem CID 71856059) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
PubChem CID71856059
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cnn(C(C)C)c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C19H27N5O/c1-14(2)24-13-17(12-20-24)22-19(25)21-15(3)16-7-6-8-18(11-16)23-9-4-5-10-23/h6-8,11-15H,4-5,9-10H2,1-3H3,(H2,21,22,25)
InChIKeyDELWQYORZJBTMW-UHFFFAOYSA-N
XLogP3.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
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1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
1-[(4-cyanophenyl)methyl]-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050725
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050726
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
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5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
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CID 97053477
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
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2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea (CID 71856059) is 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea is CC(NC(=O)Nc1cnn(C(C)C)c1)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea?
The InChIKey is DELWQYORZJBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)24-13-17(12-20-24)22-19(25)21-15(3)16-7-6-8-18(11-16)23-9-4-5-10-23/h6-8,11-15H,4-5,9-10H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea?
1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 71856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).