N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide

C15H27N5O2 — CID 97307869

IUPACN,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide
SMILESCC(C)C[C@H](C)n1nccc1NC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C15H27N5O2/c1-11(2)10-12(3)20-13(6-9-17-20)18-15(22)16-8-7-14(21)19(4)5/h6,9,11-12H,7-8,10H2,1-5H3,(H2,16,18,22)/t12-/m0/s1
InChIKeyJTQGUGBZKUFNNH-LBPRGKRZSA-N
MW309.41 g/mol
LogP2.09
Rot. Bonds7

About N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide

N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide (PubChem CID 97307869) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide
PubChem CID97307869
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide
SMILESCC(C)C[C@H](C)n1nccc1NC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C15H27N5O2/c1-11(2)10-12(3)20-13(6-9-17-20)18-15(22)16-8-7-14(21)19(4)5/h6,9,11-12H,7-8,10H2,1-5H3,(H2,16,18,22)/t12-/m0/s1
InChIKeyJTQGUGBZKUFNNH-LBPRGKRZSA-N
XLogP2.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide (CID 97307869) is N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide is CC(C)C[C@H](C)n1nccc1NC(=O)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide?
The InChIKey is JTQGUGBZKUFNNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)10-12(3)20-13(6-9-17-20)18-15(22)16-8-7-14(21)19(4)5/h6,9,11-12H,7-8,10H2,1-5H3,(H2,16,18,22)/t12-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide?
N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide has a molecular weight of 309.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide is sourced from PubChem (CID 97307869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).