N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C15H19N5O3 — CID 77094219

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2n[nH]c3c2CCCCC3)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O3/c1-20-8-10(14(22)17-15(20)23)13(21)16-7-12-9-5-3-2-4-6-11(9)18-19-12/h8H,2-7H2,1H3,(H,16,21)(H,18,19)(H,17,22,23)
InChIKeySFMPCHJGAHLFJA-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.00
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 77094219) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID77094219
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2n[nH]c3c2CCCCC3)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O3/c1-20-8-10(14(22)17-15(20)23)13(21)16-7-12-9-5-3-2-4-6-11(9)18-19-12/h8H,2-7H2,1H3,(H,16,21)(H,18,19)(H,17,22,23)
InChIKeySFMPCHJGAHLFJA-UHFFFAOYSA-N
XLogP-0.00
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 77094219) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)NCc2n[nH]c3c2CCCCC3)c(=O)[nH]c1=O.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is SFMPCHJGAHLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-20-8-10(14(22)17-15(20)23)13(21)16-7-12-9-5-3-2-4-6-11(9)18-19-12/h8H,2-7H2,1H3,(H,16,21)(H,18,19)(H,17,22,23).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 77094219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).