N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide

C24H35N5O2 — CID 139000172

IUPACN-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C24H35N5O2/c1-4-16-31-22-18-29(20-8-6-5-7-9-20)25-23(22)24(30)27(3)21-12-15-28(17-21)19-10-13-26(2)14-11-19/h5-9,18-19,21H,4,10-17H2,1-3H3
InChIKeyMSIUXBQGEDWRKN-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.90
Rot. Bonds7

About N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide

N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide (PubChem CID 139000172) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
PubChem CID139000172
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC NameN-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C24H35N5O2/c1-4-16-31-22-18-29(20-8-6-5-7-9-20)25-23(22)24(30)27(3)21-12-15-28(17-21)19-10-13-26(2)14-11-19/h5-9,18-19,21H,4,10-17H2,1-3H3
InChIKeyMSIUXBQGEDWRKN-UHFFFAOYSA-N
XLogP2.90
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119444107
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138995998
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 42896627
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
CID 95980253
4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167818237
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
3-bromo-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167912499

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide (CID 139000172) is N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide?
The InChIKey is MSIUXBQGEDWRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-4-16-31-22-18-29(20-8-6-5-7-9-20)25-23(22)24(30)27(3)21-12-15-28(17-21)19-10-13-26(2)14-11-19/h5-9,18-19,21H,4,10-17H2,1-3H3.
What are the key properties of N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide?
N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 139000172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).