N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 137018413

IUPACN-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12)C1CC1
InChIInChI=1S/C18H25N5O2/c1-3-22(13-4-5-13)18(25)16-11(2)21-23-14(10-15(24)20-17(16)23)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24)
InChIKeyDRLZUVJFTBIQCT-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.42
Rot. Bonds4

About N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018413) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018413
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12)C1CC1
InChIInChI=1S/C18H25N5O2/c1-3-22(13-4-5-13)18(25)16-11(2)21-23-14(10-15(24)20-17(16)23)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24)
InChIKeyDRLZUVJFTBIQCT-UHFFFAOYSA-N
XLogP1.42
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018413) is N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DRLZUVJFTBIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-22(13-4-5-13)18(25)16-11(2)21-23-14(10-15(24)20-17(16)23)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).