N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide

C19H23N5O3 — CID 86266451

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1
InChIInChI=1S/C19H23N5O3/c1-22-12-16(18(21-22)26-3)19(25)24(11-15-5-4-8-27-15)10-14-9-17(13-6-7-13)23(2)20-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyNIGWSTMNIYWRSA-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.48
Rot. Bonds7

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 86266451) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID86266451
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1
InChIInChI=1S/C19H23N5O3/c1-22-12-16(18(21-22)26-3)19(25)24(11-15-5-4-8-27-15)10-14-9-17(13-6-7-13)23(2)20-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyNIGWSTMNIYWRSA-UHFFFAOYSA-N
XLogP2.48
TPSA78.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 86266451) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is NIGWSTMNIYWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-22-12-16(18(21-22)26-3)19(25)24(11-15-5-4-8-27-15)10-14-9-17(13-6-7-13)23(2)20-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86266451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).