3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide

C15H21N7O3 — CID 56911085

IUPAC3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)c3cc(N)n[nH]3)C2)cc1=O
InChIInChI=1S/C15H21N7O3/c1-21-14(23)6-10(8-18-21)22-4-5-25-11(9-22)2-3-17-15(24)12-7-13(16)20-19-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H3,16,19,20)
InChIKeyJSZZKSWQKJMLJN-UHFFFAOYSA-N
MW347.38 g/mol
LogP-0.89
Rot. Bonds5

About 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 56911085) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID56911085
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)c3cc(N)n[nH]3)C2)cc1=O
InChIInChI=1S/C15H21N7O3/c1-21-14(23)6-10(8-18-21)22-4-5-25-11(9-22)2-3-17-15(24)12-7-13(16)20-19-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H3,16,19,20)
InChIKeyJSZZKSWQKJMLJN-UHFFFAOYSA-N
XLogP-0.89
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 56911085) is 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide is Cn1ncc(N2CCOC(CCNC(=O)c3cc(N)n[nH]3)C2)cc1=O.
What is the InChIKey of 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JSZZKSWQKJMLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-21-14(23)6-10(8-18-21)22-4-5-25-11(9-22)2-3-17-15(24)12-7-13(16)20-19-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H3,16,19,20).
What are the key properties of 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56911085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).