1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

C19H25N7O — CID 126432539

IUPAC1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCCCc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[nH]n1
InChIInChI=1S/C19H25N7O/c1-4-5-16-10-17(24-23-16)11-25(3)19(27)22-14(2)15-6-8-18(9-7-15)26-13-20-12-21-26/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,27)(H,23,24)/t14-/m1/s1
InChIKeyIGJHIRAEAOGXBT-CQSZACIVSA-N
MW367.46 g/mol
LogP2.85
Rot. Bonds7

About 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (PubChem CID 126432539) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
PubChem CID126432539
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCCCc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[nH]n1
InChIInChI=1S/C19H25N7O/c1-4-5-16-10-17(24-23-16)11-25(3)19(27)22-14(2)15-6-8-18(9-7-15)26-13-20-12-21-26/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,27)(H,23,24)/t14-/m1/s1
InChIKeyIGJHIRAEAOGXBT-CQSZACIVSA-N
XLogP2.85
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-[(4-phenylphenyl)methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 78871257
1-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 126450017
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
(E)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pent-2-enamide
CID 95330155
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
(2R)-2-butylsulfanyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 94677261
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119271886

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The IUPAC name of 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (CID 126432539) is 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The canonical SMILES for 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is CCCc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[nH]n1.
What is the InChIKey of 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The InChIKey is IGJHIRAEAOGXBT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-5-16-10-17(24-23-16)11-25(3)19(27)22-14(2)15-6-8-18(9-7-15)26-13-20-12-21-26/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,27)(H,23,24)/t14-/m1/s1.
What are the key properties of 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea has a molecular weight of 367.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is sourced from PubChem (CID 126432539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).