3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide

C17H26N4O2 — CID 122565974

IUPAC3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(15(20-19-12)13-2-3-13)16(22)18-10-17(4-5-17)11-21-6-8-23-9-7-21/h13H,2-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyLBDGEHGSGNJLMD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.44
Rot. Bonds6

About 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide

3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 122565974) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID122565974
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(15(20-19-12)13-2-3-13)16(22)18-10-17(4-5-17)11-21-6-8-23-9-7-21/h13H,2-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyLBDGEHGSGNJLMD-UHFFFAOYSA-N
XLogP1.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide (CID 122565974) is 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)NCC1(CN2CCOCC2)CC1.
What is the InChIKey of 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LBDGEHGSGNJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-14(15(20-19-12)13-2-3-13)16(22)18-10-17(4-5-17)11-21-6-8-23-9-7-21/h13H,2-11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide?
3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122565974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).