4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide

C14H18ClN5O — CID 131899881

IUPAC4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2nn(C)cc2Cl)nc1
InChIInChI=1S/C14H18ClN5O/c1-10-4-5-12(18-8-10)16-6-3-7-17-14(21)13-11(15)9-20(2)19-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyMEXZJGUWYDDVHY-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.01
Rot. Bonds6

About 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide (PubChem CID 131899881) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
PubChem CID131899881
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2nn(C)cc2Cl)nc1
InChIInChI=1S/C14H18ClN5O/c1-10-4-5-12(18-8-10)16-6-3-7-17-14(21)13-11(15)9-20(2)19-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyMEXZJGUWYDDVHY-UHFFFAOYSA-N
XLogP2.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide (CID 131899881) is 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide is Cc1ccc(NCCCNC(=O)c2nn(C)cc2Cl)nc1.
What is the InChIKey of 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide?
The InChIKey is MEXZJGUWYDDVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-10-4-5-12(18-8-10)16-6-3-7-17-14(21)13-11(15)9-20(2)19-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,21).
What are the key properties of 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131899881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).