(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone

C10H9ClN4O — CID 65195804

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cc(Cl)cnc2N)n1
InChIInChI=1S/C10H9ClN4O/c1-15-3-2-8(14-15)9(16)7-4-6(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13)
InChIKeyRNOSOXCPHLIWKP-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.28
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 65195804) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID65195804
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cc(Cl)cnc2N)n1
InChIInChI=1S/C10H9ClN4O/c1-15-3-2-8(14-15)9(16)7-4-6(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13)
InChIKeyRNOSOXCPHLIWKP-UHFFFAOYSA-N
XLogP1.28
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 59788580
(4-amino-2-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 112736179
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
CID 116585198
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone (CID 65195804) is (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2cc(Cl)cnc2N)n1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is RNOSOXCPHLIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-15-3-2-8(14-15)9(16)7-4-6(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 236.66 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65195804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).