N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide

C19H28N6O2 — CID 164640003

IUPACN,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n(C)n1
InChIInChI=1S/C19H28N6O2/c1-14-10-17(24(4)21-14)19(27)23(3)16-6-5-9-25(13-16)18(26)8-7-15-11-20-22(2)12-15/h10-12,16H,5-9,13H2,1-4H3/t16-/m0/s1
InChIKeyRNWSKNPEHLYCRF-INIZCTEOSA-N
MW372.47 g/mol
LogP1.16
Rot. Bonds5

About N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide

N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 164640003) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID164640003
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n(C)n1
InChIInChI=1S/C19H28N6O2/c1-14-10-17(24(4)21-14)19(27)23(3)16-6-5-9-25(13-16)18(26)8-7-15-11-20-22(2)12-15/h10-12,16H,5-9,13H2,1-4H3/t16-/m0/s1
InChIKeyRNWSKNPEHLYCRF-INIZCTEOSA-N
XLogP1.16
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 164640003) is N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n(C)n1.
What is the InChIKey of N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is RNWSKNPEHLYCRF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-10-17(24(4)21-14)19(27)23(3)16-6-5-9-25(13-16)18(26)8-7-15-11-20-22(2)12-15/h10-12,16H,5-9,13H2,1-4H3/t16-/m0/s1.
What are the key properties of N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide?
N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 164640003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).