5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide

C15H20N6O2 — CID 121410169

IUPAC5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2n[nH]c(N)c2C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H20N6O2/c1-9-8-10(2-3-11(9)21-4-6-23-7-5-21)18-15-12(14(17)22)13(16)19-20-15/h2-3,8H,4-7H2,1H3,(H2,17,22)(H4,16,18,19,20)
InChIKeyFDTCIECQFMQFMQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.98
Rot. Bonds4

About 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 121410169) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
PubChem CID121410169
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2n[nH]c(N)c2C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C15H20N6O2/c1-9-8-10(2-3-11(9)21-4-6-23-7-5-21)18-15-12(14(17)22)13(16)19-20-15/h2-3,8H,4-7H2,1H3,(H2,17,22)(H4,16,18,19,20)
InChIKeyFDTCIECQFMQFMQ-UHFFFAOYSA-N
XLogP0.98
TPSA122.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-Amino-6-(4-morpholin-4-ylphenyl)-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 136099293
5-amino-3-((4-(4-fluoropiperidin-1-yl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410211
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
CID 167937559
5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948876
3-(1H-indazol-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 13806011
7-[(4-aminophenyl)methyl]-5-butyl-3-(methylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 14100217
5-amino-3-[(3-methylphenyl)amino]-1H-pyrazole-4-carboxamide
CID 53337825
N-(1H-indazol-3-yl)-3-morpholin-4-ylpropanamide
CID 57453610
5-amino-3-((4-(dimethylamino)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701865
5-amino-3-((4-(4-isopropylpiperazin-1-yl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701873
5-amino-3-((3-ethylphenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701910
5-amino-3-((3-chloro-4-morpholinophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701912

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide (CID 121410169) is 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide is Cc1cc(Nc2n[nH]c(N)c2C(N)=O)ccc1N1CCOCC1.
What is the InChIKey of 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is FDTCIECQFMQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9-8-10(2-3-11(9)21-4-6-23-7-5-21)18-15-12(14(17)22)13(16)19-20-15/h2-3,8H,4-7H2,1H3,(H2,17,22)(H4,16,18,19,20).
What are the key properties of 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).