1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C19H23FN4O — CID 97078030

IUPAC1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESO=C(N[C@@H]1CCc2[nH]ncc2C1)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C19H23FN4O/c20-16-5-3-14(4-6-16)12-24(11-13-1-2-13)19(25)22-17-7-8-18-15(9-17)10-21-23-18/h3-6,10,13,17H,1-2,7-9,11-12H2,(H,21,23)(H,22,25)/t17-/m1/s1
InChIKeyTYQGQMWETOQPCC-QGZVFWFLSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds5

About 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 97078030) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID97078030
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESO=C(N[C@@H]1CCc2[nH]ncc2C1)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C19H23FN4O/c20-16-5-3-14(4-6-16)12-24(11-13-1-2-13)19(25)22-17-7-8-18-15(9-17)10-21-23-18/h3-6,10,13,17H,1-2,7-9,11-12H2,(H,21,23)(H,22,25)/t17-/m1/s1
InChIKeyTYQGQMWETOQPCC-QGZVFWFLSA-N
XLogP3.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 97078030) is 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is O=C(N[C@@H]1CCc2[nH]ncc2C1)N(Cc1ccc(F)cc1)CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is TYQGQMWETOQPCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-5-3-14(4-6-16)12-24(11-13-1-2-13)19(25)22-17-7-8-18-15(9-17)10-21-23-18/h3-6,10,13,17H,1-2,7-9,11-12H2,(H,21,23)(H,22,25)/t17-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 97078030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).