1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea

C19H15Cl2N5O2 — CID 59822838

IUPAC1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1cnn2cc(Cc3ccc(Cl)c(Cl)c3)cnc12
InChIInChI=1S/C19H15Cl2N5O2/c20-15-4-3-12(7-16(15)21)6-13-8-22-18-17(10-24-26(18)11-13)25-19(27)23-9-14-2-1-5-28-14/h1-5,7-8,10-11H,6,9H2,(H2,23,25,27)
InChIKeyCJWZNKFDFPPDJI-UHFFFAOYSA-N
MW416.27 g/mol
LogP4.54
Rot. Bonds5

About 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea

1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea (PubChem CID 59822838) has the molecular formula C19H15Cl2N5O2 and a molecular weight of 416.27 g/mol. Its IUPAC name is 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea
PubChem CID59822838
Molecular FormulaC19H15Cl2N5O2
Molecular Weight416.27 g/mol
Exact Mass415.06
IUPAC Name1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1cnn2cc(Cc3ccc(Cl)c(Cl)c3)cnc12
InChIInChI=1S/C19H15Cl2N5O2/c20-15-4-3-12(7-16(15)21)6-13-8-22-18-17(10-24-26(18)11-13)25-19(27)23-9-14-2-1-5-28-14/h1-5,7-8,10-11H,6,9H2,(H2,23,25,27)
InChIKeyCJWZNKFDFPPDJI-UHFFFAOYSA-N
XLogP4.54
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
6-[(3,4-dichlorophenyl)methyl]-N-(2-methylsulfinylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25072470
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
4-bromo-3-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 107813898
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19679392

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea (CID 59822838) is 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1cnn2cc(Cc3ccc(Cl)c(Cl)c3)cnc12.
What is the InChIKey of 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea?
The InChIKey is CJWZNKFDFPPDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2/c20-15-4-3-12(7-16(15)21)6-13-8-22-18-17(10-24-26(18)11-13)25-19(27)23-9-14-2-1-5-28-14/h1-5,7-8,10-11H,6,9H2,(H2,23,25,27).
What are the key properties of 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea?
1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea has a molecular weight of 416.27 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 59822838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).