N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide

C16H20N4O2 — CID 51102993

IUPACN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)cnn1CC1CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-8-17-16)15(21)19-14-11(2)9-18-20(14)10-12-6-7-12/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyLSQUZVPYYZITKA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide

N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide (PubChem CID 51102993) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide
PubChem CID51102993
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)cnn1CC1CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-8-17-16)15(21)19-14-11(2)9-18-20(14)10-12-6-7-12/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyLSQUZVPYYZITKA-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide (CID 51102993) is N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1c(C)cnn1CC1CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is LSQUZVPYYZITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-16-13(5-4-8-17-16)15(21)19-14-11(2)9-18-20(14)10-12-6-7-12/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide?
N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 51102993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).