ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

C16H21N5O3 — CID 110853944

IUPACethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)n3nccc3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-3-24-16(23)20-8-5-12(6-9-20)18-15(22)13-10-11(2)21-14(19-13)4-7-17-21/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyTWTXNLOHSKGASU-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.39
Rot. Bonds3

About ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110853944) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110853944
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)n3nccc3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-3-24-16(23)20-8-5-12(6-9-20)18-15(22)13-10-11(2)21-14(19-13)4-7-17-21/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyTWTXNLOHSKGASU-UHFFFAOYSA-N
XLogP1.39
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50974143
1-Ethyl-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040843
1-(Propan-2-YL)-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040893
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(piperidino)methanone
CID 53040897
N-(1-ethyl-1H-pyrazol-4-yl)-6-methyl-2-(morpholin-4-yl)pyrimidine-4-carboxamide
CID 56731242
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
1-Methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-piperidinone
CID 56898222
7-Tert-butyl-N-cyclopentylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040926
ethyl 4-({(1R*,2S*)-2-[(imidazo[1,2-b]pyridazin-3-ylcarbonyl)amino]cyclobutyl}amino)-1-piperidinecarboxylate
CID 56916207
(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56752963
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(morpholino)methanone
CID 53015026
N-Cycloheptyl-7-isopropylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040849

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (CID 110853944) is ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(C)n3nccc3n2)CC1.
What is the InChIKey of ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is TWTXNLOHSKGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-24-16(23)20-8-5-12(6-9-20)18-15(22)13-10-11(2)21-14(19-13)4-7-17-21/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,22).
What are the key properties of ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110853944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).