methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate

C17H15ClN6O3 — CID 175358972

IUPACmethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cn3)cn2)c(N)c1
InChIInChI=1S/C17H15ClN6O3/c1-27-17(26)22-12-3-4-14(13(19)6-12)24-9-10(7-21-24)16(25)23-15-5-2-11(18)8-20-15/h2-9H,19H2,1H3,(H,22,26)(H,20,23,25)
InChIKeyRVDKYLOOBQCMPB-UHFFFAOYSA-N
MW386.80 g/mol
LogP2.93
Rot. Bonds4

About methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate

methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate (PubChem CID 175358972) has the molecular formula C17H15ClN6O3 and a molecular weight of 386.80 g/mol. Its IUPAC name is methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate
PubChem CID175358972
Molecular FormulaC17H15ClN6O3
Molecular Weight386.80 g/mol
Exact Mass386.09
IUPAC Namemethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cn3)cn2)c(N)c1
InChIInChI=1S/C17H15ClN6O3/c1-27-17(26)22-12-3-4-14(13(19)6-12)24-9-10(7-21-24)16(25)23-15-5-2-11(18)8-20-15/h2-9H,19H2,1H3,(H,22,26)(H,20,23,25)
InChIKeyRVDKYLOOBQCMPB-UHFFFAOYSA-N
XLogP2.93
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
CID 175147104
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
CID 82999659
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
methyl N-[3-(5-bromopentanoylamino)-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
CID 175146065

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate?
The IUPAC name of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate (CID 175358972) is methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate is COC(=O)Nc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cn3)cn2)c(N)c1.
What is the InChIKey of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate?
The InChIKey is RVDKYLOOBQCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O3/c1-27-17(26)22-12-3-4-14(13(19)6-12)24-9-10(7-21-24)16(25)23-15-5-2-11(18)8-20-15/h2-9H,19H2,1H3,(H,22,26)(H,20,23,25).
What are the key properties of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate?
methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate has a molecular weight of 386.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 175358972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).